pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.62	OCHEM	0	-1	Cc1cc(C(=O)[O-])ccc1[NH3+],Cc1cc(C(=O)O)ccc1N	Cc1cc(C(=O)[O-])ccc1N	mol10639	Cc1cc(C(=O)O)ccc1N
4.793333333	AttenGpKa training set	0	-1	Cc1cc(C(=O)[O-])ccc1[NH3+],Cc1cc(C(=O)O)ccc1N	Cc1cc(C(=O)[O-])ccc1N	mol10639	Cc1cc(C(=O)O)ccc1N